6XHM
Covalent complex of SARS-CoV-2 main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 16 |
| Details | binding site for residue V2M A 9001 |
| Chain | Residue |
| A | HIS41 |
| A | GLU166 |
| A | HIS172 |
| A | GLN189 |
| A | THR190 |
| A | ALA191 |
| A | HOH9128 |
| A | HOH9177 |
| A | PHE140 |
| A | ASN142 |
| A | GLY143 |
| A | SER144 |
| A | CYS145 |
| A | HIS163 |
| A | HIS164 |
| A | MET165 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | binding site for residue EDO A 9002 |
| Chain | Residue |
| A | LYS5 |
| A | VAL125 |
| A | TYR126 |
| A | GLN127 |
| A | HOH9102 |
| A | HOH9139 |
| B | LYS5 |
| B | ALA7 |
| B | VAL125 |
| site_id | AC3 |
| Number of Residues | 20 |
| Details | binding site for Di-peptide V2M B 9001 and CYS B 145 |
| Chain | Residue |
| B | LEU27 |
| B | ASN28 |
| B | HIS41 |
| B | PHE140 |
| B | ASN142 |
| B | GLY143 |
| B | SER144 |
| B | GLY146 |
| B | SER147 |
| B | HIS163 |
| B | HIS164 |
| B | MET165 |
| B | GLU166 |
| B | HIS172 |
| B | GLN189 |
| B | THR190 |
| B | ALA191 |
| B | HOH9119 |
| B | HOH9213 |
| B | HOH9282 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"description":"For 3CL-PRO activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU00772","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"32198291","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Nucleophile; for 3CL-PRO activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU00772","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"32198291","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 6 |
| Details | Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)","evidences":[{"source":"PubMed","id":"39223933","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
